SCHEMBL24060243

SCHEMBL24060243

Bc1ccc(-n2c(C)ccc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 7/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
HPGD P15428 3/20 0.50
APEX1 P27695 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 5/20 0.48
ALOX15 P16050 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 4/20 0.47
CTSB P07858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLKB1 P03952 1/20 0.45
RAB9A P51151 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13543619 0.78 MAPT (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5579948 0.74 MAPT (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9742517 0.74 MAPT (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1773257 0.74 MAPT (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2320353 0.74 POLB (0.65) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL21225484 0.74 MAPT (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13052901 0.71 NR4A1 (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8245249 0.70 CTSB (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10405950 0.70 ALDH1A1 (1.00) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8924910 0.70 NPC1 (0.53) MAPTALDH1A1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915557-A1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2021-12-01 EP disclosed